5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C26H24FN3O4 — CID 42840818

IUPAC5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FN3O4/c1-16-4-3-5-18(14-16)15-30-23(25(32)29-22-12-8-20(27)9-13-22)24(34-26(30)33)19-6-10-21(11-7-19)28-17(2)31/h3-14,23-24H,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyYLMLLVVMAGBSQD-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.79
Rot. Bonds6

About 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840818) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID42840818
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FN3O4/c1-16-4-3-5-18(14-16)15-30-23(25(32)29-22-12-8-20(27)9-13-22)24(34-26(30)33)19-6-10-21(11-7-19)28-17(2)31/h3-14,23-24H,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyYLMLLVVMAGBSQD-UHFFFAOYSA-N
XLogP4.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-[4-(3-methylbutanoylamino)phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021108
5-(4-acetamidophenyl)-N-(cyclopropylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840826
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021057
5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840882
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841409
(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202166
(4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98422528
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
5-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(3-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021477
3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840818) is 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(C)c3)C2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is YLMLLVVMAGBSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-16-4-3-5-18(14-16)15-30-23(25(32)29-22-12-8-20(27)9-13-22)24(34-26(30)33)19-6-10-21(11-7-19)28-17(2)31/h3-14,23-24H,15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).